Information card for entry 2236483

Structure parameters

• Chemical name: 1-[(Pyridin-3-yl)(pyrrolidin-1-yl)methyl]naphthalen-2-ol
• Formula: C20 H20 N2 O
• Calculated formula: C20 H20 N2 O
• SMILES: C1CCCN1C(c1cnccc1)c1c(ccc2ccccc12)O
• Title of publication: 1-[(Pyridin-3-yl)(pyrrolidin-1-yl)methyl]naphthalen-2-ol
• Authors of publication: Zhou, Qin-Qin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2614
• a: 9.966 ± 0.002 Å
• b: 15.587 ± 0.003 Å
• c: 10.477 ± 0.002 Å
• α: 90°
• β: 91.6 ± 0.03°
• γ: 90°
• Cell volume: 1626.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes